(R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride

C14H21ClFNO — CID 138473458

IUPAC(R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride
SMILESCCC[C@@H]1CC[C@@H]([C@H](O)c2cccc(F)c2)N1.Cl
InChIInChI=1S/C14H20FNO.ClH/c1-2-4-12-7-8-13(16-12)14(17)10-5-3-6-11(15)9-10;/h3,5-6,9,12-14,16-17H,2,4,7-8H2,1H3;1H/t12-,13+,14-;/m1./s1
InChIKeyWLKBXGMWGZXCQW-FPFZOWOXSA-N
MW273.78 g/mol
LogP3.20
Rot. Bonds4

About (R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride

(R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 138473458) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is (R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name(R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride
PubChem CID138473458
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name(R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride
SMILESCCC[C@@H]1CC[C@@H]([C@H](O)c2cccc(F)c2)N1.Cl
InChIInChI=1S/C14H20FNO.ClH/c1-2-4-12-7-8-13(16-12)14(17)10-5-3-6-11(15)9-10;/h3,5-6,9,12-14,16-17H,2,4,7-8H2,1H3;1H/t12-,13+,14-;/m1./s1
InChIKeyWLKBXGMWGZXCQW-FPFZOWOXSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
CID 138473395
(3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol
CID 170314593
(3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride
CID 138473406
(4-fluorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride
CID 155074654
3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol
CID 138473450
(S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
CID 150322644
(R)-(4-fluorophenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol
CID 138473465
acetic acid;3-[(R)-hydroxy-[(2R,6S)-6-propylpiperidin-2-yl]methyl]phenol
CID 138473437
[3-[(R)-hydroxy-[(2R,6S)-6-propylpiperidin-2-yl]methyl]phenyl] acetate
CID 138473439
ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 142546484
(R)-(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol;hydrochloride
CID 155126943
(4-butylcyclohexyl)-(3-fluorophenyl)methanol
CID 114978561

Frequently Asked Questions

What is the IUPAC name of (R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of (R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride (CID 138473458) is (R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for (R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for (R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride is CCC[C@@H]1CC[C@@H]([C@H](O)c2cccc(F)c2)N1.Cl.
What is the InChIKey of (R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is WLKBXGMWGZXCQW-FPFZOWOXSA-N. The full InChI is InChI=1S/C14H20FNO.ClH/c1-2-4-12-7-8-13(16-12)14(17)10-5-3-6-11(15)9-10;/h3,5-6,9,12-14,16-17H,2,4,7-8H2,1H3;1H/t12-,13+,14-;/m1./s1.
What are the key properties of (R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride?
(R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride has a molecular weight of 273.78 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 138473458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).